==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-05 1WXZ . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.KINOSHITA . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 2 0 1 3 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 4 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A T 0 0 167 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.0 56.9 34.0 42.4 2 5 A P - 0 0 63 0, 0.0 3,-0.4 0, 0.0 301,-0.0 -0.078 360.0-134.6 -45.3 140.1 58.3 36.7 40.1 3 6 A A S S+ 0 0 11 1,-0.2 2,-1.5 299,-0.1 299,-0.1 0.980 89.5 24.2 -60.9 -88.2 59.7 35.2 36.9 4 7 A F - 0 0 3 1,-0.1 2,-1.6 298,-0.1 -1,-0.2 -0.642 69.1-175.4 -87.4 87.1 63.1 36.8 36.1 5 8 A D + 0 0 125 -2,-1.5 -1,-0.1 -3,-0.4 86,-0.1 -0.148 55.1 89.4 -75.7 42.1 64.1 37.8 39.6 6 9 A K S S- 0 0 88 -2,-1.6 342,-0.1 1,-0.1 -2,-0.1 -0.836 91.4 -71.0-132.3 168.5 67.3 39.5 38.2 7 10 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 85,-0.2 -0.283 56.1-160.0 -61.3 150.8 68.1 43.0 36.9 8 11 A K E -a 92 0A 14 83,-1.9 85,-2.7 -3,-0.0 86,-1.2 -0.818 17.9-139.0-132.0 169.9 66.5 43.9 33.5 9 12 A V E -a 94 0A 0 -2,-0.3 2,-0.4 83,-0.2 280,-0.3 -0.998 15.8-167.9-130.7 129.5 66.8 46.2 30.5 10 13 A E E +a 95 0A 0 84,-2.2 86,-3.0 -2,-0.4 3,-0.1 -0.979 17.7 166.3-125.4 127.7 63.8 47.7 28.7 11 14 A L + 0 0 0 -2,-0.4 2,-0.3 84,-0.2 -1,-0.1 0.396 66.8 58.9-115.1 -2.1 64.0 49.5 25.3 12 15 A H + 0 0 0 277,-0.2 280,-1.7 246,-0.1 2,-0.3 -0.794 62.6 111.7-139.0 98.6 60.3 49.7 24.5 13 16 A V B -j 292 0B 0 83,-0.4 85,-2.2 -2,-0.3 2,-0.5 -0.912 51.3-129.6-163.5 134.0 57.7 51.5 26.6 14 17 A H B > -b 98 0A 26 278,-2.8 3,-1.8 -2,-0.3 85,-0.2 -0.762 5.4-150.4 -92.5 125.0 55.7 54.7 26.1 15 18 A L G > S+ 0 0 1 83,-2.8 3,-2.4 -2,-0.5 -1,-0.2 0.948 100.4 56.5 -55.6 -51.8 55.7 57.3 28.9 16 19 A D G 3 S+ 0 0 18 82,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.307 109.3 49.9 -66.0 13.0 52.1 58.5 28.0 17 20 A G G < S+ 0 0 0 -3,-1.8 278,-2.0 275,-0.1 -1,-0.3 -0.018 102.5 62.2-136.4 23.5 51.2 54.8 28.5 18 21 A A < + 0 0 1 -3,-2.4 2,-0.4 276,-0.2 68,-0.1 -0.376 67.6 132.4-149.1 58.5 52.8 54.5 31.9 19 22 A I - 0 0 6 -3,-0.1 60,-0.1 64,-0.0 61,-0.0 -0.918 59.8-111.4-114.9 139.2 51.1 56.9 34.2 20 23 A K >> - 0 0 65 -2,-0.4 4,-1.4 1,-0.1 3,-0.6 -0.525 20.5-132.3 -70.7 132.8 49.8 56.0 37.7 21 24 A P H >> S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.904 106.9 55.6 -49.4 -47.1 45.9 56.0 37.9 22 25 A E H 3> S+ 0 0 92 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.855 103.8 53.5 -55.2 -40.8 46.1 58.1 41.1 23 26 A T H <> S+ 0 0 2 -3,-0.6 4,-1.9 1,-0.2 -1,-0.3 0.816 107.7 50.8 -67.1 -30.5 48.2 60.8 39.4 24 27 A I H S+ 0 0 0 -4,-3.2 5,-1.9 2,-0.2 4,-1.8 0.911 115.6 44.6 -59.7 -39.9 41.9 65.5 36.2 29 32 A K H <5S+ 0 0 126 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.956 114.4 46.6 -66.3 -55.2 40.3 66.6 39.5 30 33 A R H <5S+ 0 0 138 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.590 117.0 44.6 -67.2 -12.7 42.5 69.7 40.0 31 34 A R H <5S- 0 0 95 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.805 111.9-103.7-101.9 -39.0 42.1 70.9 36.4 32 35 A G T <5S+ 0 0 67 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.775 86.3 102.1 112.5 53.4 38.4 70.6 35.6 33 36 A I < - 0 0 64 -5,-1.9 -4,-0.2 -6,-0.1 -5,-0.1 0.616 57.2-155.9-129.0 -41.6 38.0 67.5 33.4 34 37 A A - 0 0 77 -6,-1.0 4,-0.1 -9,-0.1 -5,-0.0 0.614 13.2-126.7 62.3 134.1 36.6 64.7 35.5 35 38 A L - 0 0 26 2,-0.6 30,-0.0 -10,-0.0 8,-0.0 -0.462 34.6 -87.9-103.6 176.4 37.3 61.1 34.4 36 39 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.236 115.1 13.3 -71.2 18.0 34.8 58.2 33.8 37 40 A A - 0 0 24 6,-0.0 -2,-0.6 1,-0.0 0, 0.0 -0.928 62.2-143.3-176.8 165.9 35.3 57.4 37.6 38 41 A D S S+ 0 0 102 -2,-0.3 3,-0.1 -4,-0.1 -9,-0.0 0.339 75.2 85.2-125.7 1.8 36.8 59.1 40.6 39 42 A T S > S- 0 0 65 1,-0.1 4,-2.8 -14,-0.0 5,-0.3 -0.888 79.4-124.6-108.4 138.5 38.4 56.1 42.4 40 43 A P H > S+ 0 0 37 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.919 109.5 36.9 -40.8 -71.9 41.9 54.9 41.5 41 44 A E H > S+ 0 0 91 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.786 113.7 59.3 -57.4 -30.7 41.1 51.3 40.7 42 45 A E H >> S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 3,-0.9 0.964 109.3 43.2 -61.9 -49.8 37.8 52.3 39.1 43 46 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.737 111.0 57.5 -65.8 -24.5 39.8 54.5 36.7 44 47 A Q H 3< S+ 0 0 68 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.655 107.8 46.2 -81.7 -17.3 42.3 51.6 36.3 45 48 A N H << S+ 0 0 99 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.797 113.1 46.7 -93.2 -33.9 39.5 49.2 35.1 46 49 A I H < S+ 0 0 43 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.864 121.0 35.2 -77.6 -39.0 37.8 51.5 32.6 47 50 A I S < S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 2,-0.1 0.390 116.5 63.6 -96.0 2.3 40.9 52.8 30.8 48 51 A G S S- 0 0 3 249,-0.1 2,-0.3 -5,-0.1 249,-0.2 -0.315 73.5-142.8-106.5-164.7 42.7 49.5 31.2 49 52 A M - 0 0 7 247,-0.6 216,-0.1 -2,-0.1 -3,-0.1 -0.935 22.5-170.6-166.2 141.6 41.9 46.1 29.7 50 53 A D S S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.1 247,-0.1 0.364 79.7 39.9-113.1 0.1 41.9 42.4 30.6 51 54 A K S S- 0 0 119 214,-0.1 -1,-0.1 213,-0.0 214,-0.0 -0.994 96.5 -81.5-148.1 148.9 41.0 40.9 27.2 52 55 A P + 0 0 41 0, 0.0 2,-0.3 0, 0.0 214,-0.2 -0.135 49.2 177.8 -52.6 142.0 42.0 41.7 23.5 53 56 A L - 0 0 51 212,-1.3 2,-0.1 211,-0.1 -4,-0.0 -0.827 30.2 -86.7-137.2 174.2 40.1 44.5 21.8 54 57 A T > - 0 0 82 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.317 45.2 -97.5 -82.4 169.3 40.1 46.3 18.4 55 58 A L H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.943 121.9 45.9 -51.7 -59.9 42.2 49.2 17.4 56 59 A P H > S+ 0 0 89 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.833 110.5 55.3 -55.6 -32.3 39.6 52.0 18.0 57 60 A D H > S+ 0 0 79 -3,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.944 112.0 43.9 -62.3 -47.9 38.8 50.4 21.4 58 61 A F H >X S+ 0 0 29 -4,-2.3 3,-1.6 -3,-0.2 4,-0.6 0.957 111.8 52.1 -59.4 -55.8 42.5 50.6 22.3 59 62 A L H >X S+ 0 0 79 -4,-2.9 4,-1.0 1,-0.3 3,-0.5 0.771 98.8 65.2 -54.2 -32.5 42.8 54.2 21.0 60 63 A A H 3X S+ 0 0 32 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.3 0.800 86.7 72.2 -63.3 -29.3 39.9 55.4 23.0 61 64 A K H XX S+ 0 0 15 -3,-1.6 3,-1.1 -4,-0.7 4,-1.0 0.942 96.9 48.4 -52.3 -49.8 41.8 54.7 26.2 62 65 A F H X S+ 0 0 0 -4,-1.0 3,-2.8 1,-0.2 4,-1.0 0.831 105.7 78.4 -78.7 -37.5 43.0 60.5 30.6 66 69 A M H 3X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.3 3,-0.3 0.798 89.4 58.8 -46.8 -37.5 45.4 62.3 28.2 67 70 A P H 34 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.777 105.9 52.3 -66.8 -16.7 43.4 65.5 28.3 68 71 A A H <4 S+ 0 0 0 -3,-2.8 -2,-0.2 -4,-0.2 4,-0.1 0.784 119.3 31.8 -83.4 -31.7 44.0 65.5 32.0 69 72 A I H >< S+ 0 0 0 -4,-1.0 3,-0.9 -3,-0.3 6,-0.2 0.868 102.1 82.0 -92.4 -47.5 47.8 65.1 31.9 70 73 A A T 3< S+ 0 0 0 -4,-2.7 35,-0.1 1,-0.2 34,-0.1 -0.350 92.7 27.2 -63.9 137.3 48.6 66.9 28.6 71 74 A G T 3 S+ 0 0 7 33,-1.5 2,-0.4 1,-0.2 -1,-0.2 -0.219 89.7 106.8 107.6 -44.3 49.0 70.7 28.9 72 75 A C <> - 0 0 32 -3,-0.9 4,-1.3 1,-0.1 3,-0.4 -0.578 61.4-146.3 -76.4 126.5 49.9 71.0 32.6 73 76 A R H > S+ 0 0 104 -2,-0.4 4,-0.8 1,-0.2 -1,-0.1 0.848 97.2 36.7 -59.4 -41.2 53.6 71.9 33.1 74 77 A D H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.567 104.8 69.3 -92.2 -7.3 54.2 69.9 36.3 75 78 A A H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.882 101.5 48.5 -72.8 -37.7 52.0 67.0 35.3 76 79 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.885 111.5 47.7 -69.1 -40.9 54.6 66.1 32.7 77 80 A K H X S+ 0 0 58 -4,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.931 112.7 49.5 -67.5 -42.0 57.5 66.4 35.1 78 81 A R H X S+ 0 0 70 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.915 108.5 52.0 -63.3 -43.0 55.7 64.3 37.7 79 82 A I H X S+ 0 0 1 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.911 111.7 46.8 -62.3 -39.0 54.7 61.5 35.3 80 83 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 3,-0.4 0.964 114.0 48.1 -63.7 -51.4 58.3 61.2 34.1 81 84 A Y H X S+ 0 0 65 -4,-2.5 4,-1.5 1,-0.3 -2,-0.2 0.921 112.7 47.6 -53.7 -49.9 59.6 61.2 37.7 82 85 A E H X S+ 0 0 12 -4,-3.1 4,-1.7 1,-0.2 -1,-0.3 0.749 105.4 62.9 -65.5 -24.2 57.0 58.5 38.8 83 86 A F H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 3,-0.2 0.961 100.6 48.7 -65.8 -51.8 58.0 56.5 35.7 84 87 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.3 -2,-0.2 0.911 109.4 54.8 -54.1 -44.0 61.6 55.9 36.8 85 88 A E H X S+ 0 0 53 -4,-1.5 4,-1.5 1,-0.2 -1,-0.3 0.909 105.0 53.8 -55.4 -44.2 60.2 54.9 40.2 86 89 A M H X S+ 0 0 43 -4,-1.7 4,-1.4 -3,-0.2 -1,-0.2 0.902 106.8 49.9 -57.5 -46.8 58.0 52.3 38.5 87 90 A K H X>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 4,-0.8 0.861 103.0 62.3 -61.8 -36.6 60.9 50.7 36.6 88 91 A A H ><5S+ 0 0 34 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.936 104.4 46.9 -53.9 -49.6 62.9 50.5 39.9 89 92 A K H 3<5S+ 0 0 160 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.5 57.0 -63.2 -32.8 60.2 48.2 41.3 90 93 A D H 3<5S- 0 0 26 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.617 117.2-115.7 -73.8 -11.2 60.3 46.1 38.2 91 94 A G T <<5 + 0 0 28 -3,-1.3 -83,-1.9 -4,-0.8 2,-0.4 0.837 59.8 155.5 80.7 34.8 64.0 45.6 38.7 92 95 A V E < -a 8 0A 3 -5,-2.1 -1,-0.3 -85,-0.2 -83,-0.2 -0.810 25.9-176.4 -98.0 132.0 65.2 47.4 35.6 93 96 A V E S+ 0 0 37 -85,-2.7 51,-2.6 -2,-0.4 2,-0.4 0.684 77.2 26.8 -98.0 -22.1 68.7 48.9 35.7 94 97 A Y E +ac 9 144A 0 -86,-1.2 -84,-2.2 49,-0.2 2,-0.4 -0.984 69.4 172.5-142.5 129.8 68.5 50.5 32.3 95 98 A V E -ac 10 145A 0 49,-2.5 51,-2.0 -2,-0.4 2,-0.6 -0.991 21.1-156.8-144.1 134.6 65.4 51.8 30.5 96 99 A E E - c 0 146A 0 -86,-3.0 2,-0.4 -2,-0.4 -83,-0.4 -0.941 19.5-168.4-107.9 117.8 64.7 53.7 27.4 97 100 A V E - c 0 147A 0 49,-2.5 51,-2.4 -2,-0.6 2,-0.2 -0.908 2.7-161.5-111.5 136.1 61.3 55.4 27.5 98 101 A R E +bc 14 148A 0 -85,-2.2 -83,-2.8 -2,-0.4 -82,-0.3 -0.625 16.2 153.5-110.3 169.2 59.7 57.1 24.4 99 102 A Y E - c 0 149A 2 49,-1.1 51,-2.8 -2,-0.2 79,-0.1 -0.923 44.0-104.7 176.6 159.4 56.9 59.6 23.8 100 103 A S > - 0 0 4 -2,-0.3 3,-0.7 49,-0.2 4,-0.3 -0.870 21.7-160.4-101.2 107.9 55.6 62.2 21.4 101 104 A P G >> S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.881 90.8 59.9 -53.6 -37.2 56.3 65.7 22.8 102 105 A H G >4 S+ 0 0 0 48,-0.3 3,-1.4 1,-0.3 49,-0.0 0.876 95.5 59.9 -58.7 -42.4 53.6 67.1 20.6 103 106 A L G <4 S+ 0 0 22 -3,-0.7 -1,-0.3 1,-0.3 -33,-0.1 0.464 109.5 44.1 -68.9 -0.8 50.8 64.9 22.1 104 107 A L G <4 S+ 0 0 3 -3,-1.5 -33,-1.5 -4,-0.3 -1,-0.3 0.388 98.7 99.5-116.2 -7.2 51.5 66.5 25.5 105 108 A A << + 0 0 0 -3,-1.4 17,-0.2 -4,-0.5 3,-0.1 -0.335 41.9 178.3 -80.5 161.9 51.8 70.0 24.0 106 109 A N + 0 0 16 15,-2.2 13,-0.3 1,-0.2 2,-0.3 0.183 68.1 57.0-146.0 10.0 49.1 72.7 24.0 107 110 A S S S+ 0 0 21 14,-1.3 -1,-0.2 11,-0.2 13,-0.1 -0.995 107.5 9.4-145.8 141.7 50.9 75.5 22.3 108 111 A K S S+ 0 0 165 -2,-0.3 2,-0.2 14,-0.1 -1,-0.2 0.970 96.1 112.4 51.4 61.1 52.6 75.7 18.9 109 112 A V - 0 0 12 -3,-0.1 -1,-0.1 13,-0.1 49,-0.0 -0.738 60.6-133.1-165.0 107.2 51.3 72.4 17.7 110 113 A E S S+ 0 0 143 -2,-0.2 2,-0.2 2,-0.1 -8,-0.0 -0.966 93.8 26.9-120.3 124.1 48.7 72.1 14.9 111 114 A P S S- 0 0 65 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.610 97.8-130.2 -71.3 170.6 46.5 70.4 15.3 112 115 A I - 0 0 30 -2,-0.2 3,-0.3 4,-0.1 -2,-0.1 -0.825 33.5-110.9 -91.8 115.2 46.4 70.7 19.1 113 116 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.040 84.6 4.1 -46.0 142.5 46.1 67.2 20.5 114 117 A W S S- 0 0 54 1,-0.0 2,-0.6 2,-0.0 -44,-0.0 0.895 113.8 -77.5 46.4 60.9 43.0 65.8 22.3 115 118 A N S S+ 0 0 155 -3,-0.3 -3,-0.1 1,-0.1 -1,-0.0 -0.423 84.0 150.5 56.4-106.0 40.7 68.8 21.8 116 119 A Q - 0 0 41 -2,-0.6 2,-0.1 -46,-0.0 -4,-0.1 0.703 49.1-102.8 55.8 131.9 42.2 70.9 24.5 117 120 A A - 0 0 84 1,-0.2 -1,-0.0 -10,-0.0 0, 0.0 -0.464 46.1 -87.8 -82.5 158.2 42.3 74.8 24.4 118 121 A E + 0 0 170 -2,-0.1 2,-0.3 1,-0.1 -11,-0.2 0.220 57.6 143.9 -53.5-177.3 45.4 76.7 23.4 119 122 A G - 0 0 42 -13,-0.3 -11,-0.1 1,-0.0 -1,-0.1 -0.863 56.8 -75.2 177.4-141.2 48.1 77.7 26.0 120 123 A D S S+ 0 0 96 -2,-0.3 2,-1.2 -49,-0.2 -13,-0.1 0.337 78.2 113.7-135.1 5.3 51.8 78.2 26.4 121 124 A L - 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0 0 107 -3,-1.9 -3,-0.2 -4,-0.5 2,-0.2 0.931 38.4-175.4 60.8 50.2 71.9 41.4 13.8 254 257 A M < - 0 0 17 -5,-2.2 2,-0.5 -6,-0.1 32,-0.4 -0.530 20.1-130.0 -74.8 143.4 68.7 43.5 13.7 255 258 A H E -h 232 0A 2 -24,-0.9 -22,-2.5 -2,-0.2 2,-0.5 -0.834 14.8-154.2 -99.5 134.5 67.2 44.0 17.2 256 259 A F E -hi 233 287A 4 30,-2.0 32,-2.2 -2,-0.5 2,-1.1 -0.914 7.0-147.9-108.1 126.9 63.5 43.3 17.7 257 260 A E E -hi 234 288A 0 -24,-3.1 -22,-2.7 -2,-0.5 2,-0.2 -0.760 26.3-165.8 -94.2 93.5 61.7 45.1 20.6 258 261 A I E + i 0 289A 0 30,-1.6 32,-2.0 -2,-1.1 -246,-0.1 -0.584 23.2 178.9 -87.6 142.0 59.1 42.5 21.6 259 262 A C > + 0 0 0 -2,-0.2 4,-2.6 30,-0.2 5,-0.2 -0.680 6.9 176.5-139.7 77.4 56.0 43.2 23.9 260 263 A P H > S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 9,-0.1 0.800 78.8 47.9 -53.5 -41.8 54.2 39.8 24.1 261 264 A W H >> S+ 0 0 64 29,-0.3 4,-2.0 2,-0.2 3,-1.0 0.950 114.1 48.0 -68.5 -46.6 51.4 40.9 26.6 262 265 A S H 3> S+ 0 0 1 28,-0.3 4,-1.3 1,-0.3 6,-0.3 0.904 104.0 59.4 -59.0 -45.1 50.7 44.0 24.5 263 266 A S H 3< S+ 0 0 0 -4,-2.6 6,-3.0 1,-0.2 -1,-0.3 0.746 109.7 47.3 -57.5 -22.6 50.6 42.0 21.2 264 267 A Y H X< S+ 0 0 58 -3,-1.0 3,-1.8 -4,-0.7 -2,-0.2 0.958 109.1 48.1 -81.3 -60.6 47.8 40.1 22.9 265 268 A L H 3< S+ 0 0 0 -4,-2.0 -212,-1.3 1,-0.3 -2,-0.2 0.563 116.6 45.9 -58.0 -11.9 45.6 42.9 24.3 266 269 A T T 3< S- 0 0 31 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.465 112.3-113.8-109.3 -7.3 45.8 44.7 20.9 267 270 A G S < S+ 0 0 41 -3,-1.8 -3,-0.1 -4,-0.2 -4,-0.1 0.340 79.2 127.3 90.6 -7.4 45.0 41.8 18.7 268 271 A A S S+ 0 0 25 -6,-0.3 2,-0.4 1,-0.2 -4,-0.2 0.884 76.9 37.8 -47.9 -41.3 48.5 41.9 17.1 269 272 A W S S- 0 0 45 -6,-3.0 -2,-0.2 -7,-0.1 -1,-0.2 -0.955 77.7-143.1-121.4 129.4 48.8 38.2 18.0 270 273 A K > - 0 0 127 -2,-0.4 3,-0.9 1,-0.1 -6,-0.1 -0.730 15.0-137.6 -88.2 132.4 46.0 35.6 17.9 271 274 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.679 98.0 76.1 -61.4 -16.3 46.2 33.0 20.7 272 275 A D T 3 S+ 0 0 127 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.926 96.6 44.2 -60.3 -50.0 45.4 30.4 17.9 273 276 A T S < S- 0 0 76 -3,-0.9 2,-0.4 1,-0.1 3,-0.1 -0.393 100.4 -86.8 -93.7 174.0 48.9 30.4 16.5 274 277 A E - 0 0 133 -2,-0.1 5,-0.1 1,-0.1 -1,-0.1 -0.692 53.4 -98.9 -84.9 126.4 52.3 30.3 18.3 275 278 A H >> - 0 0 3 -2,-0.4 3,-1.1 1,-0.2 4,-0.9 0.019 25.8-120.3 -43.7 143.5 53.7 33.7 19.3 276 279 A A H 3> S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.677 107.8 68.2 -61.1 -15.7 56.3 35.2 17.0 277 280 A V H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.832 89.8 56.8 -78.3 -31.4 58.7 35.2 19.9 278 281 A I H <> S+ 0 0 39 -3,-1.1 4,-3.2 2,-0.2 5,-0.2 0.931 106.5 52.2 -65.1 -39.8 59.2 31.5 20.2 279 282 A R H X S+ 0 0 110 -4,-0.9 4,-1.1 1,-0.2 -1,-0.2 0.952 112.3 45.3 -57.0 -48.5 60.3 31.4 16.6 280 283 A F H <>S+ 0 0 0 -4,-1.5 5,-2.3 2,-0.2 3,-0.4 0.903 111.6 53.6 -60.1 -43.2 62.8 34.2 17.4 281 284 A K H ><5S+ 0 0 50 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.952 109.4 46.6 -55.7 -53.7 63.8 32.2 20.5 282 285 A N H 3<5S+ 0 0 112 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.684 113.7 50.7 -63.6 -19.5 64.5 29.1 18.5 283 286 A D T 3<5S- 0 0 26 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.246 108.9-121.2-103.1 11.3 66.5 31.1 16.0 284 287 A Q T < 5 + 0 0 113 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.857 48.7 178.3 49.9 42.5 68.7 32.9 18.5 285 288 A V < - 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0 0 11 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.707 51.7-151.0-135.6-176.0 50.9 45.1 33.6 300 303 A T >> - 0 0 55 -2,-0.2 4,-1.1 -3,-0.1 3,-0.8 -0.891 48.7 -89.7-148.6 168.2 54.5 45.3 34.7 301 304 A L H >> S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.3 3,-0.8 0.909 128.7 59.3 -52.5 -41.9 57.7 43.9 33.1 302 305 A D H 3> S+ 0 0 50 1,-0.3 4,-3.5 2,-0.2 -1,-0.3 0.883 95.2 63.7 -53.5 -40.5 57.1 40.8 35.2 303 306 A T H <> S+ 0 0 40 -3,-0.8 4,-1.8 1,-0.2 -1,-0.3 0.911 107.0 42.6 -49.8 -46.5 53.7 40.4 33.5 304 307 A D H > - 0 0 84 -2,-0.5 4,-1.6 1,-0.1 3,-0.6 -0.576 26.9-109.1 -93.2 157.9 64.2 29.3 30.7 316 319 A E H 3> S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.757 118.0 57.5 -57.5 -26.7 66.3 31.6 32.8 317 320 A E H 3> S+ 0 0 125 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.904 104.1 51.1 -72.5 -38.8 69.2 31.3 30.4 318 321 A E H <> S+ 0 0 17 -3,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.879 108.6 53.5 -62.7 -36.4 67.1 32.6 27.5 319 322 A F H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.825 111.8 44.9 -66.5 -33.5 66.1 35.5 29.8 320 323 A K H X S+ 0 0 39 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.943 112.8 48.1 -75.5 -50.6 69.8 36.3 30.4 321 324 A R H X S+ 0 0 56 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.923 113.5 53.2 -52.2 -45.0 70.8 36.0 26.8 322 325 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 3,-0.4 0.959 109.5 42.8 -54.2 -63.8 67.9 38.2 26.0 323 326 A N H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.768 111.7 56.0 -60.3 -27.6 68.7 41.1 28.4 324 327 A I H X S+ 0 0 20 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.893 107.5 48.2 -72.8 -36.8 72.3 41.0 27.4 325 328 A N H X S+ 0 0 19 -4,-2.0 4,-2.6 -3,-0.4 -2,-0.2 0.913 107.0 58.4 -65.1 -40.4 71.4 41.4 23.8 326 329 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 -39,-0.3 -1,-0.2 0.875 106.3 48.3 -54.5 -41.0 69.1 44.3 25.0 327 330 A A H < S+ 0 0 0 -4,-1.5 5,-0.2 2,-0.2 -1,-0.2 0.834 109.8 50.8 -71.4 -33.9 72.2 46.0 26.4 328 331 A K H < S+ 0 0 101 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.4 45.1 -69.8 -39.4 74.3 45.6 23.3 329 332 A S H < S+ 0 0 21 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.581 87.4 115.4 -80.0 -12.1 71.5 47.0 21.2 330 333 A S S < S- 0 0 1 -4,-0.8 -3,-0.1 -5,-0.2 -319,-0.0 -0.106 77.1-118.8 -54.9 160.4 70.7 50.0 23.5 331 334 A F + 0 0 7 -124,-0.0 -124,-0.2 6,-0.0 -1,-0.1 -0.130 69.9 132.9 -94.1 38.1 71.4 53.4 22.1 332 335 A L - 0 0 4 -5,-0.2 5,-0.1 1,-0.1 -186,-0.0 -0.603 67.2 -98.4 -89.7 147.4 74.0 54.0 24.9 333 336 A P > - 0 0 57 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.211 41.7-106.4 -57.2 159.1 77.5 55.5 24.1 334 337 A E H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.858 118.4 51.4 -60.3 -35.5 80.1 52.7 23.9 335 338 A D H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.961 114.8 41.3 -65.8 -49.7 81.7 53.6 27.2 336 339 A E H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.706 112.1 57.2 -71.1 -19.2 78.4 53.5 29.1 337 340 A K H X S+ 0 0 29 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.878 105.8 48.8 -77.8 -38.9 77.3 50.4 27.2 338 341 A K H X S+ 0 0 108 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.941 111.7 50.2 -63.4 -47.2 80.4 48.5 28.3 339 342 A E H X S+ 0 0 122 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.922 112.2 48.1 -55.9 -46.0 79.7 49.6 31.9 340 343 A L H X S+ 0 0 13 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.936 112.0 47.6 -61.9 -49.2 76.1 48.4 31.5 341 344 A L H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.940 109.7 54.4 -55.7 -50.5 77.0 45.0 30.0 342 345 A D H X S+ 0 0 72 -4,-3.0 4,-2.2 1,-0.2 5,-0.3 0.918 104.1 55.2 -49.0 -51.6 79.6 44.5 32.8 343 346 A L H X S+ 0 0 76 -4,-2.1 4,-2.3 1,-0.2 3,-0.2 0.942 111.4 42.8 -47.5 -59.5 76.9 45.1 35.4 344 347 A L H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.771 109.2 58.7 -60.3 -31.7 74.7 42.4 34.0 345 348 A Y H < S+ 0 0 92 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.930 111.8 39.6 -64.8 -46.1 77.5 40.0 33.5 346 349 A K H >< S+ 0 0 145 -4,-2.2 3,-0.7 -3,-0.2 -2,-0.2 0.893 117.2 49.0 -70.9 -41.2 78.5 40.0 37.2 347 350 A A H 3< S+ 0 0 39 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.629 98.1 71.1 -75.1 -13.2 74.9 40.0 38.4 348 351 A Y T 3< 0 0 0 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 0.028 360.0 360.0 -93.3 29.0 73.9 37.1 36.2 349 352 A R < 0 0 199 -3,-0.7 -3,-0.0 0, 0.0 -4,-0.0 -0.889 360.0 360.0-144.9 360.0 75.9 34.5 38.1